Chem
J-GLOBAL ID：200907025150111504   Nikkaji number：J80.002C

2-Benzylsuccinic acid

2-ベンジルこはく酸
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C11H12O4
Molecular formula furigana： C11-H12-O4
Molecular weight： 208.213
InChI： InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)
InChI key： GTOFKXZQQDSVFH-UHFFFAOYSA-N
SMILES： OC(=O)CC(Cc1ccccc1)C(=O)O
Systematic name  (5)：
  • 2-ベンジルブタン二酸
  • ベンジルこはく酸
  • 2-ベンジルこはく酸
  • 2-ベンジルコハク酸
  • 2-benzylbutanedioic acid
Other name (4)：
  • Benzylsuccinic acid
  • 2-Benzylsuccinic acid
  • 2-Benzylbutanedioic acid
  • Benzylsuccinate
CAS registry number： 884-33-3
Regulation number (1)：
  • 4-(4)-1242
Application (1)：
metabolite
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